1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate

C7H6F4O4 — CID 138664705

IUPAC1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate
SMILESO=C(OC/C=C\F)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H6F4O4/c8-2-1-3-14-5(12)6(13)15-4-7(9,10)11/h1-2H,3-4H2/b2-1-
InChIKeyAAIPBIXYHYMXNM-UPHRSURJSA-N
MW230.11 g/mol
LogP1.12
Rot. Bonds3

About 1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate

1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate (PubChem CID 138664705) has the molecular formula C7H6F4O4 and a molecular weight of 230.11 g/mol. Its IUPAC name is 1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate.

Molecular Properties

Compound Name1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate
PubChem CID138664705
Molecular FormulaC7H6F4O4
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate
SMILESO=C(OC/C=C\F)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H6F4O4/c8-2-1-3-14-5(12)6(13)15-4-7(9,10)11/h1-2H,3-4H2/b2-1-
InChIKeyAAIPBIXYHYMXNM-UPHRSURJSA-N
XLogP1.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate?
The IUPAC name of 1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate (CID 138664705) is 1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate.
What is the SMILES notation for 1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate?
The canonical SMILES for 1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate is O=C(OC/C=C\F)C(=O)OCC(F)(F)F.
What is the InChIKey of 1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate?
The InChIKey is AAIPBIXYHYMXNM-UPHRSURJSA-N. The full InChI is InChI=1S/C7H6F4O4/c8-2-1-3-14-5(12)6(13)15-4-7(9,10)11/h1-2H,3-4H2/b2-1-.
What are the key properties of 1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate?
1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate has a molecular weight of 230.11 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate is sourced from PubChem (CID 138664705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).